1-[dodecyl(methyl)amino]propane-1,2-diol

C16H35NO2 — CID 129203951

IUPAC1-[dodecyl(methyl)amino]propane-1,2-diol
SMILESCCCCCCCCCCCCN(C)C(O)C(C)O
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(3)16(19)15(2)18/h15-16,18-19H,4-14H2,1-3H3
InChIKeyNEOXEUBHUUQVCO-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.54
Rot. Bonds13

About 1-[dodecyl(methyl)amino]propane-1,2-diol

1-[dodecyl(methyl)amino]propane-1,2-diol (PubChem CID 129203951) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-[dodecyl(methyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name1-[dodecyl(methyl)amino]propane-1,2-diol
PubChem CID129203951
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name1-[dodecyl(methyl)amino]propane-1,2-diol
SMILESCCCCCCCCCCCCN(C)C(O)C(C)O
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(3)16(19)15(2)18/h15-16,18-19H,4-14H2,1-3H3
InChIKeyNEOXEUBHUUQVCO-UHFFFAOYSA-N
XLogP3.54
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
1-[decyl(methyl)amino]propan-1-ol;hydrochloride
CID 175358956
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776

Frequently Asked Questions

What is the IUPAC name of 1-[dodecyl(methyl)amino]propane-1,2-diol?
The IUPAC name of 1-[dodecyl(methyl)amino]propane-1,2-diol (CID 129203951) is 1-[dodecyl(methyl)amino]propane-1,2-diol.
What is the SMILES notation for 1-[dodecyl(methyl)amino]propane-1,2-diol?
The canonical SMILES for 1-[dodecyl(methyl)amino]propane-1,2-diol is CCCCCCCCCCCCN(C)C(O)C(C)O.
What is the InChIKey of 1-[dodecyl(methyl)amino]propane-1,2-diol?
The InChIKey is NEOXEUBHUUQVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(3)16(19)15(2)18/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 1-[dodecyl(methyl)amino]propane-1,2-diol?
1-[dodecyl(methyl)amino]propane-1,2-diol has a molecular weight of 273.46 g/mol, XLogP of 3.54, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dodecyl(methyl)amino]propane-1,2-diol is sourced from PubChem (CID 129203951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).